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Name | CHEMBL599262 |
---|---|
Molecular formula | C23H22ClNO3S |
IUPAC name | 4-[(1S)-1-[[4-[(4-chlorophenyl)methyl]-2,5-dimethylthiophene-3-carbonyl]amino]ethyl]benzoic acid |
Molecular weight | 427.943 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.7 |
Synonyms | BDBM50308128 SCHEMBL2348710 4-[(1S)-1-({[4-(4-Chlorobenzyl)-2,5-dimethyl-3-thienyl]carbonyl}-amino)ethyl]benzoicAcid |
Inchi Key | FADNAZBPTQVMPQ-ZDUSSCGKSA-N |
Inchi ID | InChI=1S/C23H22ClNO3S/c1-13(17-6-8-18(9-7-17)23(27)28)25-22(26)21-15(3)29-14(2)20(21)12-16-4-10-19(24)11-5-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,27,28)/t13-/m0/s1 |
PubChem CID | 24953628 |
ChEMBL | CHEMBL599262 |
IUPHAR | N/A |
BindingDB | 50308128 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
73310 | Prostacyclin receptor | P43119 | PTGIR | Homo sapiens (Human) | 386 |
73312 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
73317 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
73318 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
73313 | Prostaglandin E2 receptor EP2 subtype | P43116 | PTGER2 | Homo sapiens (Human) | 358 |
73315 | Prostaglandin E2 receptor EP3 subtype | P43115 | PTGER3 | Homo sapiens (Human) | 390 |
73311 | Prostaglandin E2 receptor EP4 subtype | P35408 | PTGER4 | Homo sapiens (Human) | 488 |
73314 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
73316 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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